2-(3,5-dichlorophenoxy)-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide

C13H14Cl2N2O3 — CID 71994594

IUPAC2-(3,5-dichlorophenoxy)-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide
SMILESCN1CCC(NC(=O)COc2cc(Cl)cc(Cl)c2)C1=O
InChIInChI=1S/C13H14Cl2N2O3/c1-17-3-2-11(13(17)19)16-12(18)7-20-10-5-8(14)4-9(15)6-10/h4-6,11H,2-3,7H2,1H3,(H,16,18)
InChIKeyHEIFELBETBILOO-UHFFFAOYSA-N
MW317.17 g/mol
LogP1.72
Rot. Bonds4

About 2-(3,5-dichlorophenoxy)-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide

2-(3,5-dichlorophenoxy)-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide (PubChem CID 71994594) has the molecular formula C13H14Cl2N2O3 and a molecular weight of 317.17 g/mol. Its IUPAC name is 2-(3,5-dichlorophenoxy)-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide.

Molecular Properties

Compound Name2-(3,5-dichlorophenoxy)-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide
PubChem CID71994594
Molecular FormulaC13H14Cl2N2O3
Molecular Weight317.17 g/mol
Exact Mass316.04
IUPAC Name2-(3,5-dichlorophenoxy)-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide
SMILESCN1CCC(NC(=O)COc2cc(Cl)cc(Cl)c2)C1=O
InChIInChI=1S/C13H14Cl2N2O3/c1-17-3-2-11(13(17)19)16-12(18)7-20-10-5-8(14)4-9(15)6-10/h4-6,11H,2-3,7H2,1H3,(H,16,18)
InChIKeyHEIFELBETBILOO-UHFFFAOYSA-N
XLogP1.72
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.17
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(aminomethyl)phenoxy]-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide
CID 106249589
2-(2-aminoethoxy)-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide
CID 103810783
2-(3,5-dichlorophenoxy)-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]acetamide
CID 11906049
N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-2-phenylmethoxyacetamide
CID 124607045
3-amino-N-(1-methyl-2-oxopyrrolidin-3-yl)-3-sulfanylidenepropanamide
CID 106256271
2-(3,5-dichlorophenoxy)-N-methylacetamide
CID 7848470
2-(3,5-dichlorophenoxy)-N-propan-2-ylacetamide
CID 84603835
5-hydroxy-N-(1-methyl-2-oxopyrrolidin-3-yl)pentanamide
CID 106259293
2-(3-amino-1,2,4-triazol-1-yl)-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide
CID 106249481
2-chloro-N-(1-methyl-2-oxopiperidin-3-yl)acetamide
CID 131107119
3-(3,5-dichlorophenoxy)-N-(1-methyl-6-oxopiperidin-3-yl)propanamide
CID 75494351
N-(2-amino-1-cyclopropylethyl)-2-(3,5-dichlorophenoxy)acetamide
CID 119614628

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichlorophenoxy)-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide?
The IUPAC name of 2-(3,5-dichlorophenoxy)-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide (CID 71994594) is 2-(3,5-dichlorophenoxy)-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide.
What is the SMILES notation for 2-(3,5-dichlorophenoxy)-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide?
The canonical SMILES for 2-(3,5-dichlorophenoxy)-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide is CN1CCC(NC(=O)COc2cc(Cl)cc(Cl)c2)C1=O.
What is the InChIKey of 2-(3,5-dichlorophenoxy)-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide?
The InChIKey is HEIFELBETBILOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2O3/c1-17-3-2-11(13(17)19)16-12(18)7-20-10-5-8(14)4-9(15)6-10/h4-6,11H,2-3,7H2,1H3,(H,16,18).
What are the key properties of 2-(3,5-dichlorophenoxy)-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide?
2-(3,5-dichlorophenoxy)-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide has a molecular weight of 317.17 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichlorophenoxy)-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide is sourced from PubChem (CID 71994594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).